ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate

C11H10N2O2S — CID 595483

IUPACethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C11H10N2O2S/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h3-7H,2H2,1H3
InChIKeyYHHRVJSNZLHEPG-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate

ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 595483) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID595483
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Nameethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C11H10N2O2S/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h3-7H,2H2,1H3
InChIKeyYHHRVJSNZLHEPG-UHFFFAOYSA-N
XLogP2.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate (CID 595483) is ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccncc2)n1.
What is the InChIKey of ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is YHHRVJSNZLHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 595483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).